Information card for entry 2233824

Structure parameters

• Chemical name: μ-Benzene-1,2,4,5-tetracarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^- bis[diaqua(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)] 0.67-hydrate
• Formula: C34 H27.332 N4 Ni2 O12.67
• Calculated formula: C34 H27.3333 N4 Ni2 O12.6667
• Title of publication: μ-Benzene-1,2,4,5-tetracarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^-bis[diaqua(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)] 0.67-hydrate
• Authors of publication: Zhuang, Changfu; Li, Ning; Yu, Xiao-yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m268 - m269
• a: 9.855 ± 0.002 Å
• b: 11.773 ± 0.002 Å
• c: 21.803 ± 0.004 Å
• α: 80.18 ± 0.03°
• β: 78.23 ± 0.03°
• γ: 75.27 ± 0.03°
• Cell volume: 2376.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes